SCHEMBL7931063

SCHEMBL7931063

CC1=C(C)C(C)(C)C([Ti+](OC(=O)c2ccccc2)OC(=O)c2ccccc2)=C1C.C[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
KMT2A Q03164 7/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7931040 0.96 TSHR (0.40) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7924476 0.86 SMN1; SMN2 (0.36) KMT2AKDM4EALDH1A1MAPK1NPC1
SCHEMBL7930318 0.79 CDC25B (0.40) KMT2AGAAKDM4EALDH1A1NPC1
SCHEMBL7928375 0.77
Hydrochloric Acid SCHEMBL7927529 0.75 KCNN4 (0.44)
SCHEMBL7924754 0.72
SCHEMBL7930741 0.71 TSHR (0.39) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7919270 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7927581 0.70 TSHR (0.56) TSHRKMT2ALMNAF2TDP1
SCHEMBL7925137 0.69 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed